3-(2-methylphenyl)-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-7-isopropyl-3-(o-tolyl)purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-(phenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-3-(2-methylphenyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-7-isopropyl-3-(o-tolyl)xanthine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)C(C)C

InChI

InChI=1S/C22H22N4O2/c1-15(2)25-14-23-20-19(25)21(27)24(13-17-10-5-4-6-11-17)22(28)26(20)18-12-8-7-9-16(18)3/h4-12,14-15H,13H2,1-3H3